USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 MET CE :methyl -169:sc= -1.36 (180deg=-0.536) USER MOD Set 1.2: A 47 MET CE :methyl -172:sc= -5.1! (180deg=-5.59!) USER MOD Set 2.1: A 10 LYS NZ :NH3+ -177:sc= 0.115 (180deg=0) USER MOD Set 2.2: A 11 THR OG1 : rot -170:sc= 0.108 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 18:sc= 0.52 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.052 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.56! C(o=-1.6!,f=-3.7!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.271 K(o=-0.27,f=-0.93) USER MOD Single : A 29 THR OG1 : rot -35:sc= 0.758 USER MOD Single : A 31 MET CE :methyl -134:sc= -1.53 (180deg=-4.09!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -10.5! C(o=-10!,f=-15!) USER MOD Single : A 46 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.4!) USER MOD Single : A 48 ASN :FLIP amide:sc= 0.00976 F(o=-2.1,f=0.0098) USER MOD Single : A 51 GLN : amide:sc=-0.00636 X(o=-0.0064,f=0) USER MOD Single : A 53 MET CE :methyl 150:sc= 0 (180deg=-0.73) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0645) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.578) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.144 K(o=-0.14,f=-3.2!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 4:sc= 1.25 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.949 2.313 25.734 1.00 0.00 N ATOM 2 CA GLY A 1 7.225 3.517 25.371 1.00 0.00 C ATOM 3 C GLY A 1 8.105 4.751 25.392 1.00 0.00 C ATOM 4 O GLY A 1 8.027 5.561 26.316 1.00 0.00 O ATOM 0 H1 GLY A 1 7.304 1.498 25.705 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.729 2.161 25.063 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.334 2.416 26.695 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.799 3.395 24.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.391 3.657 26.059 1.00 0.00 H new ATOM 8 N SER A 2 8.945 4.895 24.373 1.00 0.00 N ATOM 9 CA SER A 2 9.848 6.036 24.281 1.00 0.00 C ATOM 10 C SER A 2 10.226 6.315 22.829 1.00 0.00 C ATOM 11 O SER A 2 10.690 5.425 22.116 1.00 0.00 O ATOM 12 CB SER A 2 11.109 5.784 25.109 1.00 0.00 C ATOM 13 OG SER A 2 10.862 5.986 26.490 1.00 0.00 O ATOM 0 H SER A 2 9.019 4.235 23.599 1.00 0.00 H new ATOM 0 HA SER A 2 9.331 6.910 24.677 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.458 4.765 24.944 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.905 6.451 24.777 1.00 0.00 H new ATOM 0 HG SER A 2 9.896 5.964 26.656 1.00 0.00 H new ATOM 19 N SER A 3 10.023 7.556 22.399 1.00 0.00 N ATOM 20 CA SER A 3 10.339 7.952 21.032 1.00 0.00 C ATOM 21 C SER A 3 11.561 8.865 20.999 1.00 0.00 C ATOM 22 O SER A 3 11.981 9.396 22.026 1.00 0.00 O ATOM 23 CB SER A 3 9.142 8.660 20.394 1.00 0.00 C ATOM 24 OG SER A 3 8.054 7.768 20.223 1.00 0.00 O ATOM 0 H SER A 3 9.641 8.304 22.977 1.00 0.00 H new ATOM 0 HA SER A 3 10.565 7.051 20.462 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.835 9.498 21.020 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.432 9.074 19.428 1.00 0.00 H new ATOM 0 HG SER A 3 7.301 8.245 19.815 1.00 0.00 H new ATOM 30 N GLY A 4 12.127 9.043 19.809 1.00 0.00 N ATOM 31 CA GLY A 4 13.295 9.892 19.663 1.00 0.00 C ATOM 32 C GLY A 4 14.351 9.277 18.766 1.00 0.00 C ATOM 33 O GLY A 4 14.750 8.129 18.963 1.00 0.00 O ATOM 0 H GLY A 4 11.798 8.615 18.944 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.991 10.855 19.253 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.725 10.085 20.646 1.00 0.00 H new ATOM 37 N SER A 5 14.803 10.041 17.777 1.00 0.00 N ATOM 38 CA SER A 5 15.815 9.561 16.843 1.00 0.00 C ATOM 39 C SER A 5 16.392 10.715 16.028 1.00 0.00 C ATOM 40 O SER A 5 15.909 11.845 16.103 1.00 0.00 O ATOM 41 CB SER A 5 15.218 8.510 15.906 1.00 0.00 C ATOM 42 OG SER A 5 14.395 9.112 14.922 1.00 0.00 O ATOM 0 H SER A 5 14.485 10.994 17.602 1.00 0.00 H new ATOM 0 HA SER A 5 16.620 9.107 17.420 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.020 7.952 15.422 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.634 7.793 16.483 1.00 0.00 H new ATOM 0 HG SER A 5 14.027 8.419 14.335 1.00 0.00 H new ATOM 48 N SER A 6 17.430 10.422 15.251 1.00 0.00 N ATOM 49 CA SER A 6 18.077 11.434 14.425 1.00 0.00 C ATOM 50 C SER A 6 18.505 10.848 13.083 1.00 0.00 C ATOM 51 O SER A 6 18.670 9.636 12.946 1.00 0.00 O ATOM 52 CB SER A 6 19.291 12.016 15.151 1.00 0.00 C ATOM 53 OG SER A 6 20.018 12.892 14.308 1.00 0.00 O ATOM 0 H SER A 6 17.841 9.491 15.176 1.00 0.00 H new ATOM 0 HA SER A 6 17.357 12.231 14.240 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.963 12.552 16.042 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.940 11.207 15.487 1.00 0.00 H new ATOM 0 HG SER A 6 20.788 13.252 14.796 1.00 0.00 H new ATOM 59 N GLY A 7 18.685 11.718 12.094 1.00 0.00 N ATOM 60 CA GLY A 7 19.092 11.269 10.776 1.00 0.00 C ATOM 61 C GLY A 7 18.383 12.016 9.664 1.00 0.00 C ATOM 62 O GLY A 7 17.189 12.297 9.758 1.00 0.00 O ATOM 0 H GLY A 7 18.556 12.726 12.182 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.169 11.399 10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.889 10.202 10.680 1.00 0.00 H new ATOM 66 N GLY A 8 19.121 12.341 8.606 1.00 0.00 N ATOM 67 CA GLY A 8 18.538 13.058 7.487 1.00 0.00 C ATOM 68 C GLY A 8 19.478 13.145 6.301 1.00 0.00 C ATOM 69 O GLY A 8 20.408 12.348 6.178 1.00 0.00 O ATOM 0 H GLY A 8 20.112 12.120 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 8 17.617 12.561 7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 8 18.266 14.064 7.806 1.00 0.00 H new ATOM 73 N MET A 9 19.235 14.114 5.425 1.00 0.00 N ATOM 74 CA MET A 9 20.067 14.301 4.242 1.00 0.00 C ATOM 75 C MET A 9 21.325 15.094 4.582 1.00 0.00 C ATOM 76 O MET A 9 21.725 15.991 3.841 1.00 0.00 O ATOM 77 CB MET A 9 19.279 15.019 3.145 1.00 0.00 C ATOM 78 CG MET A 9 19.825 14.778 1.747 1.00 0.00 C ATOM 79 SD MET A 9 18.635 15.190 0.457 1.00 0.00 S ATOM 80 CE MET A 9 19.594 16.332 -0.536 1.00 0.00 C ATOM 0 H MET A 9 18.469 14.782 5.512 1.00 0.00 H new ATOM 0 HA MET A 9 20.365 13.317 3.880 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.240 14.691 3.182 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.283 16.090 3.348 1.00 0.00 H new ATOM 0 HG2 MET A 9 20.728 15.372 1.606 1.00 0.00 H new ATOM 0 HG3 MET A 9 20.114 13.731 1.649 1.00 0.00 H new ATOM 0 HE1 MET A 9 18.992 16.677 -1.377 1.00 0.00 H new ATOM 0 HE2 MET A 9 19.889 17.186 0.074 1.00 0.00 H new ATOM 0 HE3 MET A 9 20.486 15.829 -0.910 1.00 0.00 H new ATOM 90 N LYS A 10 21.945 14.757 5.708 1.00 0.00 N ATOM 91 CA LYS A 10 23.158 15.436 6.147 1.00 0.00 C ATOM 92 C LYS A 10 24.169 15.535 5.008 1.00 0.00 C ATOM 93 O LYS A 10 24.560 16.630 4.604 1.00 0.00 O ATOM 94 CB LYS A 10 23.781 14.696 7.333 1.00 0.00 C ATOM 95 CG LYS A 10 25.063 15.333 7.842 1.00 0.00 C ATOM 96 CD LYS A 10 25.713 14.489 8.925 1.00 0.00 C ATOM 97 CE LYS A 10 27.199 14.789 9.049 1.00 0.00 C ATOM 98 NZ LYS A 10 28.017 13.916 8.163 1.00 0.00 N ATOM 0 H LYS A 10 21.627 14.017 6.334 1.00 0.00 H new ATOM 0 HA LYS A 10 22.887 16.445 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.057 14.656 8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 10 23.988 13.667 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.760 15.463 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.846 16.326 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.222 14.678 9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.572 13.432 8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.381 15.834 8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.512 14.651 10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 29.026 14.116 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.825 12.918 8.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.772 14.103 7.170 1.00 0.00 H new ATOM 112 N THR A 11 24.588 14.383 4.493 1.00 0.00 N ATOM 113 CA THR A 11 25.552 14.340 3.401 1.00 0.00 C ATOM 114 C THR A 11 25.030 13.501 2.240 1.00 0.00 C ATOM 115 O THR A 11 24.671 12.337 2.415 1.00 0.00 O ATOM 116 CB THR A 11 26.904 13.767 3.867 1.00 0.00 C ATOM 117 OG1 THR A 11 27.365 14.477 5.022 1.00 0.00 O ATOM 118 CG2 THR A 11 27.942 13.861 2.760 1.00 0.00 C ATOM 0 H THR A 11 24.274 13.467 4.815 1.00 0.00 H new ATOM 0 HA THR A 11 25.697 15.367 3.067 1.00 0.00 H new ATOM 0 HB THR A 11 26.760 12.717 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 11 28.290 14.218 5.218 1.00 0.00 H new ATOM 0 HG21 THR A 11 28.888 13.450 3.113 1.00 0.00 H new ATOM 0 HG22 THR A 11 27.601 13.295 1.893 1.00 0.00 H new ATOM 0 HG23 THR A 11 28.082 14.905 2.480 1.00 0.00 H new ATOM 126 N SER A 12 24.993 14.099 1.054 1.00 0.00 N ATOM 127 CA SER A 12 24.512 13.407 -0.136 1.00 0.00 C ATOM 128 C SER A 12 25.637 12.616 -0.796 1.00 0.00 C ATOM 129 O SER A 12 26.809 12.975 -0.691 1.00 0.00 O ATOM 130 CB SER A 12 23.926 14.409 -1.133 1.00 0.00 C ATOM 131 OG SER A 12 24.952 15.135 -1.789 1.00 0.00 O ATOM 0 H SER A 12 25.290 15.061 0.891 1.00 0.00 H new ATOM 0 HA SER A 12 23.731 12.710 0.170 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.321 13.882 -1.870 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.263 15.100 -0.612 1.00 0.00 H new ATOM 0 HG SER A 12 24.552 15.767 -2.422 1.00 0.00 H new ATOM 137 N GLY A 13 25.271 11.534 -1.477 1.00 0.00 N ATOM 138 CA GLY A 13 26.260 10.707 -2.144 1.00 0.00 C ATOM 139 C GLY A 13 26.102 9.236 -1.816 1.00 0.00 C ATOM 140 O GLY A 13 25.685 8.444 -2.661 1.00 0.00 O ATOM 0 H GLY A 13 24.307 11.216 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 13 26.178 10.846 -3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 13 27.258 11.035 -1.855 1.00 0.00 H new ATOM 144 N LYS A 14 26.438 8.867 -0.584 1.00 0.00 N ATOM 145 CA LYS A 14 26.332 7.481 -0.144 1.00 0.00 C ATOM 146 C LYS A 14 24.875 7.032 -0.107 1.00 0.00 C ATOM 147 O LYS A 14 24.229 7.080 0.939 1.00 0.00 O ATOM 148 CB LYS A 14 26.965 7.314 1.239 1.00 0.00 C ATOM 149 CG LYS A 14 27.246 5.867 1.609 1.00 0.00 C ATOM 150 CD LYS A 14 28.409 5.304 0.810 1.00 0.00 C ATOM 151 CE LYS A 14 29.746 5.744 1.386 1.00 0.00 C ATOM 152 NZ LYS A 14 30.853 5.585 0.402 1.00 0.00 N ATOM 0 H LYS A 14 26.786 9.509 0.128 1.00 0.00 H new ATOM 0 HA LYS A 14 26.867 6.856 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 14 27.898 7.877 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 14 26.303 7.750 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 14 27.468 5.799 2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 14 26.355 5.265 1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 14 28.355 4.215 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 14 28.332 5.632 -0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 14 29.682 6.787 1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 14 29.967 5.159 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 31.747 5.896 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 30.931 4.586 0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 30.655 6.163 -0.440 1.00 0.00 H new ATOM 166 N GLN A 15 24.366 6.594 -1.254 1.00 0.00 N ATOM 167 CA GLN A 15 22.985 6.136 -1.350 1.00 0.00 C ATOM 168 C GLN A 15 22.599 5.309 -0.128 1.00 0.00 C ATOM 169 O GLN A 15 23.440 4.636 0.469 1.00 0.00 O ATOM 170 CB GLN A 15 22.787 5.310 -2.623 1.00 0.00 C ATOM 171 CG GLN A 15 23.771 4.159 -2.760 1.00 0.00 C ATOM 172 CD GLN A 15 25.122 4.606 -3.282 1.00 0.00 C ATOM 173 OE1 GLN A 15 25.225 5.596 -4.005 1.00 0.00 O ATOM 174 NE2 GLN A 15 26.169 3.875 -2.916 1.00 0.00 N ATOM 0 H GLN A 15 24.888 6.547 -2.129 1.00 0.00 H new ATOM 0 HA GLN A 15 22.340 7.014 -1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.772 4.913 -2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.883 5.964 -3.489 1.00 0.00 H new ATOM 0 HG2 GLN A 15 23.901 3.680 -1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.356 3.409 -3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 15 26.038 3.061 -2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 15 27.104 4.127 -3.236 1.00 0.00 H new ATOM 183 N ASP A 16 21.324 5.363 0.238 1.00 0.00 N ATOM 184 CA ASP A 16 20.826 4.618 1.389 1.00 0.00 C ATOM 185 C ASP A 16 19.559 3.847 1.031 1.00 0.00 C ATOM 186 O ASP A 16 19.021 3.995 -0.065 1.00 0.00 O ATOM 187 CB ASP A 16 20.549 5.567 2.556 1.00 0.00 C ATOM 188 CG ASP A 16 21.796 6.293 3.021 1.00 0.00 C ATOM 189 OD1 ASP A 16 22.737 5.618 3.488 1.00 0.00 O ATOM 190 OD2 ASP A 16 21.831 7.537 2.916 1.00 0.00 O ATOM 0 H ASP A 16 20.616 5.915 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 16 21.592 3.902 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.798 6.297 2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 16 20.130 5.002 3.388 1.00 0.00 H new ATOM 195 N GLU A 17 19.089 3.025 1.964 1.00 0.00 N ATOM 196 CA GLU A 17 17.886 2.231 1.746 1.00 0.00 C ATOM 197 C GLU A 17 16.646 2.978 2.225 1.00 0.00 C ATOM 198 O GLU A 17 15.565 2.842 1.651 1.00 0.00 O ATOM 199 CB GLU A 17 17.997 0.887 2.470 1.00 0.00 C ATOM 200 CG GLU A 17 19.036 -0.044 1.868 1.00 0.00 C ATOM 201 CD GLU A 17 18.908 -1.467 2.377 1.00 0.00 C ATOM 202 OE1 GLU A 17 17.861 -2.097 2.120 1.00 0.00 O ATOM 203 OE2 GLU A 17 19.856 -1.950 3.031 1.00 0.00 O ATOM 0 H GLU A 17 19.523 2.892 2.877 1.00 0.00 H new ATOM 0 HA GLU A 17 17.789 2.052 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.245 1.067 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.025 0.393 2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 17 18.937 -0.040 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 17 20.033 0.332 2.098 1.00 0.00 H new ATOM 210 N ALA A 18 16.809 3.768 3.281 1.00 0.00 N ATOM 211 CA ALA A 18 15.704 4.538 3.838 1.00 0.00 C ATOM 212 C ALA A 18 15.023 5.377 2.762 1.00 0.00 C ATOM 213 O ALA A 18 13.807 5.304 2.582 1.00 0.00 O ATOM 214 CB ALA A 18 16.197 5.428 4.969 1.00 0.00 C ATOM 0 H ALA A 18 17.697 3.892 3.768 1.00 0.00 H new ATOM 0 HA ALA A 18 14.970 3.837 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.361 5.997 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.631 4.810 5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.953 6.115 4.588 1.00 0.00 H new ATOM 220 N TRP A 19 15.813 6.172 2.050 1.00 0.00 N ATOM 221 CA TRP A 19 15.285 7.026 0.992 1.00 0.00 C ATOM 222 C TRP A 19 14.597 6.195 -0.085 1.00 0.00 C ATOM 223 O TRP A 19 13.606 6.626 -0.676 1.00 0.00 O ATOM 224 CB TRP A 19 16.409 7.858 0.371 1.00 0.00 C ATOM 225 CG TRP A 19 17.211 7.106 -0.648 1.00 0.00 C ATOM 226 CD1 TRP A 19 18.475 6.612 -0.494 1.00 0.00 C ATOM 227 CD2 TRP A 19 16.804 6.766 -1.977 1.00 0.00 C ATOM 228 NE1 TRP A 19 18.878 5.985 -1.648 1.00 0.00 N ATOM 229 CE2 TRP A 19 17.871 6.064 -2.573 1.00 0.00 C ATOM 230 CE3 TRP A 19 15.642 6.982 -2.722 1.00 0.00 C ATOM 231 CZ2 TRP A 19 17.808 5.582 -3.877 1.00 0.00 C ATOM 232 CZ3 TRP A 19 15.581 6.503 -4.017 1.00 0.00 C ATOM 233 CH2 TRP A 19 16.659 5.808 -4.583 1.00 0.00 C ATOM 0 H TRP A 19 16.821 6.243 2.186 1.00 0.00 H new ATOM 0 HA TRP A 19 14.548 7.696 1.434 1.00 0.00 H new ATOM 0 HB2 TRP A 19 15.980 8.744 -0.097 1.00 0.00 H new ATOM 0 HB3 TRP A 19 17.074 8.205 1.162 1.00 0.00 H new ATOM 0 HD1 TRP A 19 19.070 6.701 0.403 1.00 0.00 H new ATOM 0 HE1 TRP A 19 19.781 5.534 -1.793 1.00 0.00 H new ATOM 0 HE3 TRP A 19 14.806 7.514 -2.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 18.638 5.048 -4.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.688 6.667 -4.602 1.00 0.00 H new ATOM 0 HH2 TRP A 19 16.580 5.444 -5.597 1.00 0.00 H new ATOM 244 N ILE A 20 15.127 5.002 -0.335 1.00 0.00 N ATOM 245 CA ILE A 20 14.561 4.111 -1.341 1.00 0.00 C ATOM 246 C ILE A 20 13.148 3.681 -0.962 1.00 0.00 C ATOM 247 O ILE A 20 12.230 3.743 -1.779 1.00 0.00 O ATOM 248 CB ILE A 20 15.433 2.856 -1.535 1.00 0.00 C ATOM 249 CG1 ILE A 20 16.773 3.233 -2.169 1.00 0.00 C ATOM 250 CG2 ILE A 20 14.704 1.833 -2.393 1.00 0.00 C ATOM 251 CD1 ILE A 20 17.720 2.063 -2.320 1.00 0.00 C ATOM 0 H ILE A 20 15.947 4.630 0.145 1.00 0.00 H new ATOM 0 HA ILE A 20 14.529 4.670 -2.276 1.00 0.00 H new ATOM 0 HB ILE A 20 15.627 2.411 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.591 3.672 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.251 4.001 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.333 0.952 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.772 1.546 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.484 2.267 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.649 2.404 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.932 1.637 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.262 1.304 -2.954 1.00 0.00 H new ATOM 263 N MET A 21 12.981 3.247 0.283 1.00 0.00 N ATOM 264 CA MET A 21 11.679 2.810 0.772 1.00 0.00 C ATOM 265 C MET A 21 10.559 3.638 0.150 1.00 0.00 C ATOM 266 O MET A 21 9.542 3.098 -0.284 1.00 0.00 O ATOM 267 CB MET A 21 11.620 2.915 2.297 1.00 0.00 C ATOM 268 CG MET A 21 10.205 2.954 2.850 1.00 0.00 C ATOM 269 SD MET A 21 9.136 1.705 2.110 1.00 0.00 S ATOM 270 CE MET A 21 10.072 0.215 2.447 1.00 0.00 C ATOM 0 H MET A 21 13.731 3.189 0.971 1.00 0.00 H new ATOM 0 HA MET A 21 11.541 1.768 0.482 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.148 2.066 2.732 1.00 0.00 H new ATOM 0 HB3 MET A 21 12.149 3.815 2.612 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.237 2.806 3.929 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.778 3.942 2.676 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.646 -0.617 1.886 1.00 0.00 H new ATOM 0 HE2 MET A 21 11.110 0.361 2.147 1.00 0.00 H new ATOM 0 HE3 MET A 21 10.031 -0.007 3.513 1.00 0.00 H new ATOM 280 N SER A 22 10.753 4.953 0.112 1.00 0.00 N ATOM 281 CA SER A 22 9.757 5.856 -0.453 1.00 0.00 C ATOM 282 C SER A 22 9.401 5.449 -1.880 1.00 0.00 C ATOM 283 O SER A 22 8.227 5.309 -2.222 1.00 0.00 O ATOM 284 CB SER A 22 10.275 7.296 -0.436 1.00 0.00 C ATOM 285 OG SER A 22 10.056 7.901 0.827 1.00 0.00 O ATOM 0 H SER A 22 11.590 5.416 0.466 1.00 0.00 H new ATOM 0 HA SER A 22 8.857 5.793 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.340 7.306 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.775 7.875 -1.212 1.00 0.00 H new ATOM 0 HG SER A 22 10.397 8.820 0.813 1.00 0.00 H new ATOM 291 N ARG A 23 10.424 5.261 -2.707 1.00 0.00 N ATOM 292 CA ARG A 23 10.220 4.871 -4.097 1.00 0.00 C ATOM 293 C ARG A 23 9.068 3.878 -4.220 1.00 0.00 C ATOM 294 O ARG A 23 8.105 4.116 -4.950 1.00 0.00 O ATOM 295 CB ARG A 23 11.499 4.257 -4.670 1.00 0.00 C ATOM 296 CG ARG A 23 12.575 5.282 -4.990 1.00 0.00 C ATOM 297 CD ARG A 23 13.458 4.821 -6.140 1.00 0.00 C ATOM 298 NE ARG A 23 12.865 5.121 -7.440 1.00 0.00 N ATOM 299 CZ ARG A 23 12.832 6.339 -7.969 1.00 0.00 C ATOM 300 NH1 ARG A 23 13.356 7.365 -7.313 1.00 0.00 N ATOM 301 NH2 ARG A 23 12.274 6.532 -9.158 1.00 0.00 N ATOM 0 H ARG A 23 11.402 5.372 -2.439 1.00 0.00 H new ATOM 0 HA ARG A 23 9.968 5.766 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.897 3.535 -3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.253 3.706 -5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.108 6.233 -5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.188 5.456 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.432 5.305 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.628 3.747 -6.058 1.00 0.00 H new ATOM 0 HE ARG A 23 12.454 4.353 -7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.786 7.220 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.329 8.299 -7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.870 5.745 -9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.249 7.467 -9.564 1.00 0.00 H new ATOM 315 N LEU A 24 9.173 2.765 -3.503 1.00 0.00 N ATOM 316 CA LEU A 24 8.140 1.736 -3.531 1.00 0.00 C ATOM 317 C LEU A 24 6.792 2.305 -3.102 1.00 0.00 C ATOM 318 O LEU A 24 5.750 1.936 -3.644 1.00 0.00 O ATOM 319 CB LEU A 24 8.529 0.570 -2.620 1.00 0.00 C ATOM 320 CG LEU A 24 9.916 -0.029 -2.851 1.00 0.00 C ATOM 321 CD1 LEU A 24 10.217 -1.096 -1.810 1.00 0.00 C ATOM 322 CD2 LEU A 24 10.020 -0.608 -4.255 1.00 0.00 C ATOM 0 H LEU A 24 9.964 2.552 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 24 8.050 1.374 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.469 0.908 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.789 -0.221 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 24 10.655 0.766 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.209 -1.511 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.185 -0.653 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.473 -1.890 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.014 -1.030 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.271 -1.390 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.849 0.181 -4.987 1.00 0.00 H new ATOM 334 N ILE A 25 6.820 3.206 -2.126 1.00 0.00 N ATOM 335 CA ILE A 25 5.600 3.828 -1.626 1.00 0.00 C ATOM 336 C ILE A 25 4.938 4.682 -2.703 1.00 0.00 C ATOM 337 O ILE A 25 3.745 4.544 -2.973 1.00 0.00 O ATOM 338 CB ILE A 25 5.881 4.706 -0.392 1.00 0.00 C ATOM 339 CG1 ILE A 25 6.689 3.922 0.644 1.00 0.00 C ATOM 340 CG2 ILE A 25 4.576 5.203 0.212 1.00 0.00 C ATOM 341 CD1 ILE A 25 5.837 3.063 1.552 1.00 0.00 C ATOM 0 H ILE A 25 7.674 3.522 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 25 4.927 3.019 -1.341 1.00 0.00 H new ATOM 0 HB ILE A 25 6.467 5.571 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.408 3.287 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.261 4.622 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.791 5.822 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.034 5.793 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.967 4.351 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.477 2.537 2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.135 3.694 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.284 2.338 0.954 1.00 0.00 H new ATOM 353 N LYS A 26 5.721 5.563 -3.316 1.00 0.00 N ATOM 354 CA LYS A 26 5.212 6.437 -4.366 1.00 0.00 C ATOM 355 C LYS A 26 4.310 5.668 -5.325 1.00 0.00 C ATOM 356 O LYS A 26 3.183 6.082 -5.596 1.00 0.00 O ATOM 357 CB LYS A 26 6.373 7.070 -5.138 1.00 0.00 C ATOM 358 CG LYS A 26 5.933 7.866 -6.354 1.00 0.00 C ATOM 359 CD LYS A 26 7.068 8.710 -6.909 1.00 0.00 C ATOM 360 CE LYS A 26 6.556 9.768 -7.875 1.00 0.00 C ATOM 361 NZ LYS A 26 7.487 10.926 -7.974 1.00 0.00 N ATOM 0 H LYS A 26 6.710 5.691 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 26 4.624 7.225 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.930 7.725 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.057 6.284 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.574 7.185 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.097 8.511 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.599 9.192 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.785 8.067 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.422 9.324 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.577 10.116 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.102 11.625 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.595 11.365 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.414 10.598 -8.312 1.00 0.00 H new ATOM 375 N GLN A 27 4.812 4.548 -5.834 1.00 0.00 N ATOM 376 CA GLN A 27 4.050 3.722 -6.762 1.00 0.00 C ATOM 377 C GLN A 27 2.644 3.461 -6.231 1.00 0.00 C ATOM 378 O GLN A 27 1.683 3.386 -6.997 1.00 0.00 O ATOM 379 CB GLN A 27 4.770 2.395 -7.007 1.00 0.00 C ATOM 380 CG GLN A 27 5.985 2.519 -7.912 1.00 0.00 C ATOM 381 CD GLN A 27 6.289 1.237 -8.660 1.00 0.00 C ATOM 382 OE1 GLN A 27 6.890 0.312 -8.112 1.00 0.00 O ATOM 383 NE2 GLN A 27 5.875 1.174 -9.920 1.00 0.00 N ATOM 0 H GLN A 27 5.743 4.192 -5.619 1.00 0.00 H new ATOM 0 HA GLN A 27 3.968 4.262 -7.705 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.082 1.978 -6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.069 1.687 -7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.818 3.323 -8.629 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.852 2.800 -7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.380 1.964 -10.334 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.051 0.336 -10.473 1.00 0.00 H new ATOM 392 N LEU A 28 2.531 3.323 -4.914 1.00 0.00 N ATOM 393 CA LEU A 28 1.243 3.070 -4.279 1.00 0.00 C ATOM 394 C LEU A 28 0.480 4.372 -4.058 1.00 0.00 C ATOM 395 O LEU A 28 -0.690 4.490 -4.425 1.00 0.00 O ATOM 396 CB LEU A 28 1.442 2.350 -2.945 1.00 0.00 C ATOM 397 CG LEU A 28 1.459 0.822 -3.003 1.00 0.00 C ATOM 398 CD1 LEU A 28 2.645 0.332 -3.820 1.00 0.00 C ATOM 399 CD2 LEU A 28 1.497 0.235 -1.599 1.00 0.00 C ATOM 0 H LEU A 28 3.316 3.382 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 28 0.657 2.435 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.382 2.688 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.647 2.659 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 28 0.544 0.486 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.641 -0.758 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.574 0.723 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.571 0.679 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.509 -0.853 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.394 0.579 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.615 0.558 -1.046 1.00 0.00 H new ATOM 411 N THR A 29 1.150 5.350 -3.456 1.00 0.00 N ATOM 412 CA THR A 29 0.536 6.644 -3.187 1.00 0.00 C ATOM 413 C THR A 29 -0.175 7.183 -4.422 1.00 0.00 C ATOM 414 O THR A 29 -1.099 7.990 -4.316 1.00 0.00 O ATOM 415 CB THR A 29 1.581 7.675 -2.719 1.00 0.00 C ATOM 416 OG1 THR A 29 2.412 8.063 -3.818 1.00 0.00 O ATOM 417 CG2 THR A 29 2.442 7.105 -1.602 1.00 0.00 C ATOM 0 H THR A 29 2.118 5.270 -3.146 1.00 0.00 H new ATOM 0 HA THR A 29 -0.192 6.489 -2.391 1.00 0.00 H new ATOM 0 HB THR A 29 1.052 8.548 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.549 7.295 -4.412 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.172 7.851 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.810 6.838 -0.755 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.962 6.217 -1.961 1.00 0.00 H new ATOM 425 N ASP A 30 0.261 6.733 -5.594 1.00 0.00 N ATOM 426 CA ASP A 30 -0.336 7.169 -6.851 1.00 0.00 C ATOM 427 C ASP A 30 -1.577 6.344 -7.178 1.00 0.00 C ATOM 428 O ASP A 30 -2.536 6.852 -7.758 1.00 0.00 O ATOM 429 CB ASP A 30 0.680 7.058 -7.988 1.00 0.00 C ATOM 430 CG ASP A 30 0.350 7.974 -9.150 1.00 0.00 C ATOM 431 OD1 ASP A 30 0.482 9.206 -8.992 1.00 0.00 O ATOM 432 OD2 ASP A 30 -0.039 7.459 -10.219 1.00 0.00 O ATOM 0 H ASP A 30 1.026 6.066 -5.699 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.634 8.212 -6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.673 7.300 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.716 6.027 -8.340 1.00 0.00 H new ATOM 437 N MET A 31 -1.549 5.069 -6.804 1.00 0.00 N ATOM 438 CA MET A 31 -2.672 4.174 -7.058 1.00 0.00 C ATOM 439 C MET A 31 -3.913 4.629 -6.297 1.00 0.00 C ATOM 440 O MET A 31 -4.920 5.001 -6.898 1.00 0.00 O ATOM 441 CB MET A 31 -2.311 2.742 -6.658 1.00 0.00 C ATOM 442 CG MET A 31 -1.340 2.070 -7.615 1.00 0.00 C ATOM 443 SD MET A 31 -1.066 0.332 -7.221 1.00 0.00 S ATOM 444 CE MET A 31 0.723 0.280 -7.144 1.00 0.00 C ATOM 0 H MET A 31 -0.762 4.633 -6.324 1.00 0.00 H new ATOM 0 HA MET A 31 -2.892 4.201 -8.125 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.876 2.751 -5.659 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.223 2.148 -6.603 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.723 2.152 -8.632 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.387 2.599 -7.590 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.086 -0.587 -7.697 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.133 1.189 -7.584 1.00 0.00 H new ATOM 0 HE3 MET A 31 1.040 0.206 -6.104 1.00 0.00 H new ATOM 454 N GLY A 32 -3.834 4.596 -4.970 1.00 0.00 N ATOM 455 CA GLY A 32 -4.958 5.007 -4.149 1.00 0.00 C ATOM 456 C GLY A 32 -4.857 4.493 -2.727 1.00 0.00 C ATOM 457 O GLY A 32 -5.852 4.066 -2.141 1.00 0.00 O ATOM 0 H GLY A 32 -3.012 4.292 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.015 6.095 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.883 4.645 -4.598 1.00 0.00 H new ATOM 461 N PHE A 33 -3.650 4.531 -2.170 1.00 0.00 N ATOM 462 CA PHE A 33 -3.422 4.063 -0.809 1.00 0.00 C ATOM 463 C PHE A 33 -2.439 4.973 -0.078 1.00 0.00 C ATOM 464 O PHE A 33 -1.486 5.494 -0.659 1.00 0.00 O ATOM 465 CB PHE A 33 -2.891 2.628 -0.823 1.00 0.00 C ATOM 466 CG PHE A 33 -3.579 1.744 -1.824 1.00 0.00 C ATOM 467 CD1 PHE A 33 -4.949 1.541 -1.763 1.00 0.00 C ATOM 468 CD2 PHE A 33 -2.857 1.117 -2.826 1.00 0.00 C ATOM 469 CE1 PHE A 33 -5.584 0.728 -2.682 1.00 0.00 C ATOM 470 CE2 PHE A 33 -3.487 0.303 -3.749 1.00 0.00 C ATOM 471 CZ PHE A 33 -4.852 0.109 -3.677 1.00 0.00 C ATOM 0 H PHE A 33 -2.816 4.881 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.374 4.086 -0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.823 2.646 -1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.007 2.196 0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.526 2.024 -0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.789 1.266 -2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.652 0.576 -2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.912 -0.180 -4.525 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.347 -0.526 -4.397 1.00 0.00 H new ATOM 481 N PRO A 34 -2.675 5.171 1.227 1.00 0.00 N ATOM 482 CA PRO A 34 -1.822 6.018 2.066 1.00 0.00 C ATOM 483 C PRO A 34 -0.449 5.401 2.308 1.00 0.00 C ATOM 484 O PRO A 34 -0.278 4.185 2.209 1.00 0.00 O ATOM 485 CB PRO A 34 -2.602 6.117 3.380 1.00 0.00 C ATOM 486 CG PRO A 34 -3.440 4.886 3.416 1.00 0.00 C ATOM 487 CD PRO A 34 -3.791 4.582 1.985 1.00 0.00 C ATOM 0 HA PRO A 34 -1.622 6.982 1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.930 6.164 4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.218 7.016 3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.896 4.057 3.869 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.338 5.043 4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.873 3.509 1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.746 5.025 1.703 1.00 0.00 H new ATOM 495 N ARG A 35 0.527 6.245 2.625 1.00 0.00 N ATOM 496 CA ARG A 35 1.886 5.781 2.880 1.00 0.00 C ATOM 497 C ARG A 35 1.953 4.980 4.177 1.00 0.00 C ATOM 498 O ARG A 35 2.805 4.107 4.335 1.00 0.00 O ATOM 499 CB ARG A 35 2.848 6.968 2.951 1.00 0.00 C ATOM 500 CG ARG A 35 2.543 7.932 4.085 1.00 0.00 C ATOM 501 CD ARG A 35 3.073 9.327 3.789 1.00 0.00 C ATOM 502 NE ARG A 35 3.297 10.098 5.009 1.00 0.00 N ATOM 503 CZ ARG A 35 3.310 11.425 5.048 1.00 0.00 C ATOM 504 NH1 ARG A 35 3.111 12.126 3.940 1.00 0.00 N ATOM 505 NH2 ARG A 35 3.520 12.055 6.197 1.00 0.00 N ATOM 0 H ARG A 35 0.402 7.254 2.711 1.00 0.00 H new ATOM 0 HA ARG A 35 2.182 5.131 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.865 6.594 3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.814 7.510 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.466 7.977 4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.988 7.561 5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.007 9.249 3.233 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.365 9.856 3.151 1.00 0.00 H new ATOM 0 HE ARG A 35 3.452 9.589 5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.947 11.646 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.121 13.145 3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.672 11.520 7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.530 13.075 6.225 1.00 0.00 H new ATOM 519 N GLU A 36 1.048 5.286 5.102 1.00 0.00 N ATOM 520 CA GLU A 36 1.006 4.595 6.386 1.00 0.00 C ATOM 521 C GLU A 36 1.179 3.090 6.200 1.00 0.00 C ATOM 522 O GLU A 36 2.164 2.494 6.637 1.00 0.00 O ATOM 523 CB GLU A 36 -0.315 4.883 7.102 1.00 0.00 C ATOM 524 CG GLU A 36 -0.227 6.017 8.109 1.00 0.00 C ATOM 525 CD GLU A 36 0.580 5.645 9.338 1.00 0.00 C ATOM 526 OE1 GLU A 36 1.818 5.526 9.221 1.00 0.00 O ATOM 527 OE2 GLU A 36 -0.026 5.472 10.416 1.00 0.00 O ATOM 0 H GLU A 36 0.335 6.007 4.987 1.00 0.00 H new ATOM 0 HA GLU A 36 1.830 4.965 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.075 5.126 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.646 3.979 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.225 6.887 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.233 6.306 8.413 1.00 0.00 H new ATOM 534 N PRO A 37 0.199 2.460 5.535 1.00 0.00 N ATOM 535 CA PRO A 37 0.219 1.017 5.275 1.00 0.00 C ATOM 536 C PRO A 37 1.291 0.625 4.264 1.00 0.00 C ATOM 537 O PRO A 37 2.090 -0.277 4.511 1.00 0.00 O ATOM 538 CB PRO A 37 -1.176 0.739 4.711 1.00 0.00 C ATOM 539 CG PRO A 37 -1.613 2.036 4.123 1.00 0.00 C ATOM 540 CD PRO A 37 -1.004 3.107 4.985 1.00 0.00 C ATOM 0 HA PRO A 37 0.452 0.444 6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.149 -0.048 3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.860 0.408 5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.278 2.129 3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.700 2.114 4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.753 3.995 4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.686 3.424 5.774 1.00 0.00 H new ATOM 548 N ALA A 38 1.302 1.310 3.125 1.00 0.00 N ATOM 549 CA ALA A 38 2.277 1.034 2.077 1.00 0.00 C ATOM 550 C ALA A 38 3.663 0.794 2.667 1.00 0.00 C ATOM 551 O ALA A 38 4.493 0.112 2.067 1.00 0.00 O ATOM 552 CB ALA A 38 2.318 2.181 1.079 1.00 0.00 C ATOM 0 H ALA A 38 0.647 2.060 2.905 1.00 0.00 H new ATOM 0 HA ALA A 38 1.969 0.126 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.050 1.961 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.334 2.304 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.599 3.100 1.593 1.00 0.00 H new ATOM 558 N GLU A 39 3.906 1.361 3.845 1.00 0.00 N ATOM 559 CA GLU A 39 5.193 1.209 4.514 1.00 0.00 C ATOM 560 C GLU A 39 5.241 -0.090 5.313 1.00 0.00 C ATOM 561 O GLU A 39 6.053 -0.972 5.036 1.00 0.00 O ATOM 562 CB GLU A 39 5.456 2.399 5.438 1.00 0.00 C ATOM 563 CG GLU A 39 6.742 2.276 6.239 1.00 0.00 C ATOM 564 CD GLU A 39 6.694 3.049 7.542 1.00 0.00 C ATOM 565 OE1 GLU A 39 5.741 2.839 8.322 1.00 0.00 O ATOM 566 OE2 GLU A 39 7.609 3.864 7.782 1.00 0.00 O ATOM 0 H GLU A 39 3.229 1.929 4.355 1.00 0.00 H new ATOM 0 HA GLU A 39 5.969 1.174 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.496 3.310 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.618 2.506 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.934 1.224 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.576 2.637 5.637 1.00 0.00 H new ATOM 573 N GLU A 40 4.364 -0.199 6.307 1.00 0.00 N ATOM 574 CA GLU A 40 4.307 -1.389 7.147 1.00 0.00 C ATOM 575 C GLU A 40 4.245 -2.654 6.296 1.00 0.00 C ATOM 576 O GLU A 40 4.929 -3.638 6.576 1.00 0.00 O ATOM 577 CB GLU A 40 3.094 -1.326 8.077 1.00 0.00 C ATOM 578 CG GLU A 40 1.826 -1.897 7.463 1.00 0.00 C ATOM 579 CD GLU A 40 0.619 -1.742 8.367 1.00 0.00 C ATOM 580 OE1 GLU A 40 0.546 -2.460 9.386 1.00 0.00 O ATOM 581 OE2 GLU A 40 -0.252 -0.902 8.057 1.00 0.00 O ATOM 0 H GLU A 40 3.684 0.522 6.549 1.00 0.00 H new ATOM 0 HA GLU A 40 5.215 -1.422 7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.321 -1.870 8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.916 -0.288 8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.630 -1.399 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.977 -2.954 7.243 1.00 0.00 H new ATOM 588 N ALA A 41 3.418 -2.620 5.256 1.00 0.00 N ATOM 589 CA ALA A 41 3.267 -3.761 4.362 1.00 0.00 C ATOM 590 C ALA A 41 4.606 -4.164 3.753 1.00 0.00 C ATOM 591 O ALA A 41 5.148 -5.224 4.066 1.00 0.00 O ATOM 592 CB ALA A 41 2.260 -3.444 3.266 1.00 0.00 C ATOM 0 H ALA A 41 2.842 -1.814 5.012 1.00 0.00 H new ATOM 0 HA ALA A 41 2.897 -4.602 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.158 -4.305 2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.294 -3.214 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.606 -2.585 2.691 1.00 0.00 H new ATOM 598 N LEU A 42 5.134 -3.311 2.882 1.00 0.00 N ATOM 599 CA LEU A 42 6.410 -3.579 2.228 1.00 0.00 C ATOM 600 C LEU A 42 7.360 -4.314 3.168 1.00 0.00 C ATOM 601 O LEU A 42 7.942 -5.337 2.804 1.00 0.00 O ATOM 602 CB LEU A 42 7.050 -2.270 1.760 1.00 0.00 C ATOM 603 CG LEU A 42 6.401 -1.602 0.548 1.00 0.00 C ATOM 604 CD1 LEU A 42 6.943 -0.193 0.360 1.00 0.00 C ATOM 605 CD2 LEU A 42 6.629 -2.434 -0.706 1.00 0.00 C ATOM 0 H LEU A 42 4.699 -2.429 2.613 1.00 0.00 H new ATOM 0 HA LEU A 42 6.220 -4.214 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.035 -1.564 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.097 -2.464 1.526 1.00 0.00 H new ATOM 0 HG LEU A 42 5.328 -1.536 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.469 0.266 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.728 0.401 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.021 -0.236 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.160 -1.943 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.699 -2.533 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.191 -3.423 -0.571 1.00 0.00 H new ATOM 617 N LYS A 43 7.511 -3.789 4.378 1.00 0.00 N ATOM 618 CA LYS A 43 8.387 -4.397 5.373 1.00 0.00 C ATOM 619 C LYS A 43 8.160 -5.903 5.451 1.00 0.00 C ATOM 620 O LYS A 43 9.111 -6.684 5.463 1.00 0.00 O ATOM 621 CB LYS A 43 8.151 -3.763 6.746 1.00 0.00 C ATOM 622 CG LYS A 43 8.504 -2.287 6.803 1.00 0.00 C ATOM 623 CD LYS A 43 9.962 -2.076 7.177 1.00 0.00 C ATOM 624 CE LYS A 43 10.392 -0.635 6.951 1.00 0.00 C ATOM 625 NZ LYS A 43 9.848 0.277 7.995 1.00 0.00 N ATOM 0 H LYS A 43 7.038 -2.943 4.694 1.00 0.00 H new ATOM 0 HA LYS A 43 9.419 -4.218 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.103 -3.888 7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.741 -4.298 7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.306 -1.827 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.865 -1.787 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.113 -2.342 8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.591 -2.742 6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.480 -0.577 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.054 -0.305 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.164 1.250 7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.809 0.241 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.191 -0.022 8.930 1.00 0.00 H new ATOM 639 N SER A 44 6.893 -6.304 5.502 1.00 0.00 N ATOM 640 CA SER A 44 6.541 -7.716 5.580 1.00 0.00 C ATOM 641 C SER A 44 6.446 -8.331 4.187 1.00 0.00 C ATOM 642 O SER A 44 6.529 -9.548 4.027 1.00 0.00 O ATOM 643 CB SER A 44 5.214 -7.893 6.320 1.00 0.00 C ATOM 644 OG SER A 44 4.940 -9.263 6.557 1.00 0.00 O ATOM 0 H SER A 44 6.094 -5.670 5.491 1.00 0.00 H new ATOM 0 HA SER A 44 7.328 -8.230 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.249 -7.357 7.268 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.406 -7.454 5.735 1.00 0.00 H new ATOM 0 HG SER A 44 4.087 -9.349 7.032 1.00 0.00 H new ATOM 650 N ASN A 45 6.271 -7.479 3.182 1.00 0.00 N ATOM 651 CA ASN A 45 6.163 -7.937 1.802 1.00 0.00 C ATOM 652 C ASN A 45 7.531 -7.950 1.125 1.00 0.00 C ATOM 653 O ASN A 45 7.627 -8.018 -0.100 1.00 0.00 O ATOM 654 CB ASN A 45 5.203 -7.040 1.019 1.00 0.00 C ATOM 655 CG ASN A 45 3.749 -7.382 1.282 1.00 0.00 C ATOM 656 OD1 ASN A 45 3.220 -8.353 0.740 1.00 0.00 O ATOM 657 ND2 ASN A 45 3.095 -6.582 2.116 1.00 0.00 N ATOM 0 H ASN A 45 6.201 -6.468 3.298 1.00 0.00 H new ATOM 0 HA ASN A 45 5.772 -8.954 1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.383 -5.999 1.287 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.409 -7.135 -0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.114 -6.761 2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.574 -5.789 2.542 1.00 0.00 H new ATOM 664 N ASN A 46 8.585 -7.884 1.931 1.00 0.00 N ATOM 665 CA ASN A 46 9.947 -7.888 1.411 1.00 0.00 C ATOM 666 C ASN A 46 10.131 -6.798 0.360 1.00 0.00 C ATOM 667 O ASN A 46 10.677 -7.043 -0.715 1.00 0.00 O ATOM 668 CB ASN A 46 10.281 -9.254 0.808 1.00 0.00 C ATOM 669 CG ASN A 46 11.772 -9.457 0.625 1.00 0.00 C ATOM 670 OD1 ASN A 46 12.581 -8.898 1.366 1.00 0.00 O ATOM 671 ND2 ASN A 46 12.143 -10.260 -0.366 1.00 0.00 N ATOM 0 H ASN A 46 8.522 -7.827 2.947 1.00 0.00 H new ATOM 0 HA ASN A 46 10.626 -7.688 2.240 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.887 -10.039 1.453 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.783 -9.354 -0.156 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.133 -10.434 -0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.438 -10.702 -0.955 1.00 0.00 H new ATOM 678 N MET A 47 9.672 -5.592 0.679 1.00 0.00 N ATOM 679 CA MET A 47 9.788 -4.463 -0.237 1.00 0.00 C ATOM 680 C MET A 47 9.315 -4.847 -1.635 1.00 0.00 C ATOM 681 O MET A 47 10.012 -4.615 -2.622 1.00 0.00 O ATOM 682 CB MET A 47 11.235 -3.970 -0.292 1.00 0.00 C ATOM 683 CG MET A 47 11.667 -3.213 0.953 1.00 0.00 C ATOM 684 SD MET A 47 11.350 -4.133 2.471 1.00 0.00 S ATOM 685 CE MET A 47 10.626 -2.855 3.496 1.00 0.00 C ATOM 0 H MET A 47 9.216 -5.372 1.565 1.00 0.00 H new ATOM 0 HA MET A 47 9.152 -3.659 0.134 1.00 0.00 H new ATOM 0 HB2 MET A 47 11.896 -4.825 -0.435 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.357 -3.323 -1.161 1.00 0.00 H new ATOM 0 HG2 MET A 47 12.731 -2.987 0.885 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.141 -2.259 0.994 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.506 -3.229 4.513 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.279 -1.982 3.505 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.652 -2.575 3.095 1.00 0.00 H new ATOM 695 N ASN A 48 8.126 -5.436 -1.712 1.00 0.00 N ATOM 696 CA ASN A 48 7.560 -5.853 -2.990 1.00 0.00 C ATOM 697 C ASN A 48 6.253 -5.118 -3.272 1.00 0.00 C ATOM 698 O ASN A 48 5.510 -4.775 -2.352 1.00 0.00 O ATOM 699 CB ASN A 48 7.321 -7.364 -2.997 1.00 0.00 C ATOM 700 CG ASN A 48 7.460 -7.965 -4.382 1.00 0.00 C ATOM 701 OD1 ASN A 48 6.444 -7.771 -5.216 1.00 0.00 O flip ATOM 702 ND2 ASN A 48 8.468 -8.596 -4.699 1.00 0.00 N flip ATOM 0 H ASN A 48 7.536 -5.635 -0.904 1.00 0.00 H new ATOM 0 HA ASN A 48 8.274 -5.602 -3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.030 -7.844 -2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.323 -7.573 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.224 -8.720 -4.026 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.547 -8.994 -5.635 1.00 0.00 H new ATOM 709 N LEU A 49 5.979 -4.880 -4.550 1.00 0.00 N ATOM 710 CA LEU A 49 4.761 -4.187 -4.955 1.00 0.00 C ATOM 711 C LEU A 49 3.604 -5.167 -5.115 1.00 0.00 C ATOM 712 O LEU A 49 2.503 -4.930 -4.618 1.00 0.00 O ATOM 713 CB LEU A 49 4.991 -3.433 -6.266 1.00 0.00 C ATOM 714 CG LEU A 49 4.166 -2.161 -6.463 1.00 0.00 C ATOM 715 CD1 LEU A 49 4.631 -1.070 -5.511 1.00 0.00 C ATOM 716 CD2 LEU A 49 4.255 -1.686 -7.906 1.00 0.00 C ATOM 0 H LEU A 49 6.584 -5.157 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 49 4.502 -3.473 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.047 -3.171 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.780 -4.111 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 49 3.124 -2.389 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.032 -0.172 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.514 -1.411 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.680 -0.844 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.662 -0.780 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.295 -1.476 -8.156 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.872 -2.462 -8.569 1.00 0.00 H new ATOM 728 N ASP A 50 3.861 -6.270 -5.810 1.00 0.00 N ATOM 729 CA ASP A 50 2.842 -7.288 -6.033 1.00 0.00 C ATOM 730 C ASP A 50 2.369 -7.882 -4.710 1.00 0.00 C ATOM 731 O ASP A 50 1.186 -8.178 -4.540 1.00 0.00 O ATOM 732 CB ASP A 50 3.386 -8.395 -6.937 1.00 0.00 C ATOM 733 CG ASP A 50 3.798 -7.878 -8.302 1.00 0.00 C ATOM 734 OD1 ASP A 50 2.956 -7.247 -8.975 1.00 0.00 O ATOM 735 OD2 ASP A 50 4.961 -8.105 -8.697 1.00 0.00 O ATOM 0 H ASP A 50 4.767 -6.481 -6.229 1.00 0.00 H new ATOM 0 HA ASP A 50 1.991 -6.814 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.244 -8.865 -6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.626 -9.167 -7.058 1.00 0.00 H new ATOM 740 N GLN A 51 3.300 -8.054 -3.778 1.00 0.00 N ATOM 741 CA GLN A 51 2.978 -8.615 -2.471 1.00 0.00 C ATOM 742 C GLN A 51 2.365 -7.556 -1.560 1.00 0.00 C ATOM 743 O GLN A 51 1.424 -7.831 -0.817 1.00 0.00 O ATOM 744 CB GLN A 51 4.232 -9.200 -1.820 1.00 0.00 C ATOM 745 CG GLN A 51 5.014 -10.130 -2.733 1.00 0.00 C ATOM 746 CD GLN A 51 4.294 -11.440 -2.987 1.00 0.00 C ATOM 747 OE1 GLN A 51 3.906 -11.739 -4.116 1.00 0.00 O ATOM 748 NE2 GLN A 51 4.113 -12.230 -1.935 1.00 0.00 N ATOM 0 H GLN A 51 4.283 -7.813 -3.903 1.00 0.00 H new ATOM 0 HA GLN A 51 2.248 -9.411 -2.616 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.882 -8.384 -1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.944 -9.745 -0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.197 -9.630 -3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.988 -10.335 -2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.451 -11.942 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.636 -13.125 -2.045 1.00 0.00 H new ATOM 757 N ALA A 52 2.905 -6.343 -1.624 1.00 0.00 N ATOM 758 CA ALA A 52 2.410 -5.242 -0.807 1.00 0.00 C ATOM 759 C ALA A 52 0.986 -4.863 -1.201 1.00 0.00 C ATOM 760 O ALA A 52 0.100 -4.776 -0.352 1.00 0.00 O ATOM 761 CB ALA A 52 3.332 -4.038 -0.930 1.00 0.00 C ATOM 0 H ALA A 52 3.685 -6.098 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 52 2.396 -5.571 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.950 -3.223 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.332 -4.310 -0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.375 -3.717 -1.971 1.00 0.00 H new ATOM 767 N MET A 53 0.775 -4.638 -2.494 1.00 0.00 N ATOM 768 CA MET A 53 -0.542 -4.268 -2.999 1.00 0.00 C ATOM 769 C MET A 53 -1.612 -5.222 -2.477 1.00 0.00 C ATOM 770 O MET A 53 -2.523 -4.814 -1.757 1.00 0.00 O ATOM 771 CB MET A 53 -0.543 -4.270 -4.529 1.00 0.00 C ATOM 772 CG MET A 53 0.173 -3.076 -5.138 1.00 0.00 C ATOM 773 SD MET A 53 0.809 -3.417 -6.791 1.00 0.00 S ATOM 774 CE MET A 53 -0.696 -3.329 -7.757 1.00 0.00 C ATOM 0 H MET A 53 1.498 -4.705 -3.210 1.00 0.00 H new ATOM 0 HA MET A 53 -0.772 -3.263 -2.644 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.071 -5.186 -4.883 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.574 -4.285 -4.884 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.513 -2.230 -5.184 1.00 0.00 H new ATOM 0 HG3 MET A 53 0.998 -2.782 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.462 -2.988 -8.766 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.156 -4.316 -7.805 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.388 -2.629 -7.289 1.00 0.00 H new ATOM 784 N SER A 54 -1.496 -6.494 -2.846 1.00 0.00 N ATOM 785 CA SER A 54 -2.455 -7.505 -2.418 1.00 0.00 C ATOM 786 C SER A 54 -2.628 -7.483 -0.903 1.00 0.00 C ATOM 787 O SER A 54 -3.726 -7.694 -0.389 1.00 0.00 O ATOM 788 CB SER A 54 -2.002 -8.894 -2.871 1.00 0.00 C ATOM 789 OG SER A 54 -2.996 -9.867 -2.606 1.00 0.00 O ATOM 0 H SER A 54 -0.747 -6.849 -3.441 1.00 0.00 H new ATOM 0 HA SER A 54 -3.416 -7.276 -2.879 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.781 -8.877 -3.938 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.079 -9.164 -2.358 1.00 0.00 H new ATOM 0 HG SER A 54 -2.682 -10.745 -2.906 1.00 0.00 H new ATOM 795 N ALA A 55 -1.534 -7.227 -0.192 1.00 0.00 N ATOM 796 CA ALA A 55 -1.564 -7.176 1.264 1.00 0.00 C ATOM 797 C ALA A 55 -2.487 -6.066 1.756 1.00 0.00 C ATOM 798 O ALA A 55 -3.058 -6.156 2.843 1.00 0.00 O ATOM 799 CB ALA A 55 -0.159 -6.977 1.813 1.00 0.00 C ATOM 0 H ALA A 55 -0.616 -7.052 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.955 -8.126 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.196 -6.941 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.475 -7.806 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.251 -6.042 1.432 1.00 0.00 H new ATOM 805 N LEU A 56 -2.630 -5.020 0.949 1.00 0.00 N ATOM 806 CA LEU A 56 -3.484 -3.892 1.302 1.00 0.00 C ATOM 807 C LEU A 56 -4.894 -4.084 0.752 1.00 0.00 C ATOM 808 O LEU A 56 -5.878 -3.968 1.483 1.00 0.00 O ATOM 809 CB LEU A 56 -2.888 -2.589 0.768 1.00 0.00 C ATOM 810 CG LEU A 56 -1.449 -2.287 1.187 1.00 0.00 C ATOM 811 CD1 LEU A 56 -0.934 -1.047 0.472 1.00 0.00 C ATOM 812 CD2 LEU A 56 -1.359 -2.111 2.696 1.00 0.00 C ATOM 0 H LEU A 56 -2.165 -4.930 0.046 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.542 -3.838 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.931 -2.613 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.521 -1.763 1.094 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.823 -3.132 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.092 -0.847 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.962 -1.210 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.563 -0.193 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.328 -1.897 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.998 -1.284 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.686 -3.026 3.189 1.00 0.00 H new ATOM 824 N LEU A 57 -4.984 -4.379 -0.540 1.00 0.00 N ATOM 825 CA LEU A 57 -6.274 -4.590 -1.188 1.00 0.00 C ATOM 826 C LEU A 57 -7.063 -5.691 -0.487 1.00 0.00 C ATOM 827 O LEU A 57 -8.250 -5.532 -0.204 1.00 0.00 O ATOM 828 CB LEU A 57 -6.073 -4.950 -2.662 1.00 0.00 C ATOM 829 CG LEU A 57 -5.625 -3.809 -3.576 1.00 0.00 C ATOM 830 CD1 LEU A 57 -4.107 -3.734 -3.632 1.00 0.00 C ATOM 831 CD2 LEU A 57 -6.204 -3.987 -4.972 1.00 0.00 C ATOM 0 H LEU A 57 -4.180 -4.478 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.843 -3.663 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.334 -5.749 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.010 -5.352 -3.048 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.999 -2.871 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.807 -2.916 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.714 -3.559 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.710 -4.673 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.875 -3.166 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.860 -4.932 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.293 -3.990 -4.917 1.00 0.00 H new ATOM 843 N GLU A 58 -6.394 -6.805 -0.208 1.00 0.00 N ATOM 844 CA GLU A 58 -7.033 -7.931 0.462 1.00 0.00 C ATOM 845 C GLU A 58 -8.065 -7.446 1.477 1.00 0.00 C ATOM 846 O GLU A 58 -9.140 -8.030 1.614 1.00 0.00 O ATOM 847 CB GLU A 58 -5.985 -8.800 1.160 1.00 0.00 C ATOM 848 CG GLU A 58 -5.149 -8.045 2.179 1.00 0.00 C ATOM 849 CD GLU A 58 -5.759 -8.069 3.568 1.00 0.00 C ATOM 850 OE1 GLU A 58 -6.541 -8.998 3.857 1.00 0.00 O ATOM 851 OE2 GLU A 58 -5.453 -7.158 4.365 1.00 0.00 O ATOM 0 H GLU A 58 -5.411 -6.952 -0.435 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.544 -8.527 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.487 -9.630 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.324 -9.231 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.150 -8.480 2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.034 -7.011 1.855 1.00 0.00 H new ATOM 858 N LYS A 59 -7.730 -6.375 2.187 1.00 0.00 N ATOM 859 CA LYS A 59 -8.625 -5.809 3.189 1.00 0.00 C ATOM 860 C LYS A 59 -10.062 -5.774 2.677 1.00 0.00 C ATOM 861 O LYS A 59 -10.986 -6.214 3.361 1.00 0.00 O ATOM 862 CB LYS A 59 -8.173 -4.397 3.567 1.00 0.00 C ATOM 863 CG LYS A 59 -7.020 -4.371 4.556 1.00 0.00 C ATOM 864 CD LYS A 59 -7.472 -4.774 5.949 1.00 0.00 C ATOM 865 CE LYS A 59 -6.540 -4.224 7.018 1.00 0.00 C ATOM 866 NZ LYS A 59 -6.739 -2.763 7.229 1.00 0.00 N ATOM 0 H LYS A 59 -6.844 -5.880 2.087 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.588 -6.445 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.877 -3.865 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.018 -3.856 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.234 -5.046 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.589 -3.370 4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.484 -4.409 6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.508 -5.861 6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.711 -4.753 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.506 -4.412 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.241 -2.466 8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.361 -2.240 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.754 -2.562 7.328 1.00 0.00 H new ATOM 880 N LYS A 60 -10.242 -5.251 1.469 1.00 0.00 N ATOM 881 CA LYS A 60 -11.566 -5.161 0.864 1.00 0.00 C ATOM 882 C LYS A 60 -11.695 -6.130 -0.307 1.00 0.00 C ATOM 883 O LYS A 60 -10.735 -6.807 -0.675 1.00 0.00 O ATOM 884 CB LYS A 60 -11.836 -3.732 0.389 1.00 0.00 C ATOM 885 CG LYS A 60 -13.310 -3.430 0.175 1.00 0.00 C ATOM 886 CD LYS A 60 -13.604 -1.948 0.332 1.00 0.00 C ATOM 887 CE LYS A 60 -13.453 -1.207 -0.988 1.00 0.00 C ATOM 888 NZ LYS A 60 -14.064 0.150 -0.935 1.00 0.00 N ATOM 0 H LYS A 60 -9.488 -4.883 0.889 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.303 -5.431 1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.433 -3.032 1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.299 -3.561 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.609 -3.758 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.906 -3.998 0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.617 -1.815 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.928 -1.518 1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.395 -1.120 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.921 -1.785 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.940 0.623 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.079 0.066 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.600 0.711 -0.192 1.00 0.00 H new ATOM 902 N VAL A 61 -12.888 -6.190 -0.890 1.00 0.00 N ATOM 903 CA VAL A 61 -13.142 -7.075 -2.022 1.00 0.00 C ATOM 904 C VAL A 61 -12.522 -6.522 -3.301 1.00 0.00 C ATOM 905 O VAL A 61 -12.893 -5.445 -3.767 1.00 0.00 O ATOM 906 CB VAL A 61 -14.652 -7.282 -2.244 1.00 0.00 C ATOM 907 CG1 VAL A 61 -15.357 -5.944 -2.402 1.00 0.00 C ATOM 908 CG2 VAL A 61 -14.895 -8.168 -3.456 1.00 0.00 C ATOM 0 H VAL A 61 -13.694 -5.637 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.682 -8.034 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.065 -7.782 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.423 -6.111 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.211 -5.347 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.943 -5.414 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.967 -8.304 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -14.468 -7.698 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.424 -9.138 -3.298 1.00 0.00 H new ATOM 918 N ASP A 62 -11.577 -7.268 -3.863 1.00 0.00 N ATOM 919 CA ASP A 62 -10.906 -6.854 -5.090 1.00 0.00 C ATOM 920 C ASP A 62 -11.921 -6.440 -6.151 1.00 0.00 C ATOM 921 O ASP A 62 -12.907 -7.137 -6.388 1.00 0.00 O ATOM 922 CB ASP A 62 -10.027 -7.987 -5.622 1.00 0.00 C ATOM 923 CG ASP A 62 -10.814 -9.255 -5.889 1.00 0.00 C ATOM 924 OD1 ASP A 62 -11.131 -9.972 -4.916 1.00 0.00 O ATOM 925 OD2 ASP A 62 -11.114 -9.529 -7.069 1.00 0.00 O ATOM 0 H ASP A 62 -11.259 -8.162 -3.489 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.277 -5.994 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.541 -7.664 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.237 -8.198 -4.902 1.00 0.00 H new ATOM 930 N VAL A 63 -11.673 -5.299 -6.787 1.00 0.00 N ATOM 931 CA VAL A 63 -12.564 -4.791 -7.823 1.00 0.00 C ATOM 932 C VAL A 63 -11.791 -4.435 -9.087 1.00 0.00 C ATOM 933 O VAL A 63 -10.883 -3.603 -9.058 1.00 0.00 O ATOM 934 CB VAL A 63 -13.337 -3.550 -7.339 1.00 0.00 C ATOM 935 CG1 VAL A 63 -12.374 -2.427 -6.982 1.00 0.00 C ATOM 936 CG2 VAL A 63 -14.330 -3.095 -8.398 1.00 0.00 C ATOM 0 H VAL A 63 -10.862 -4.709 -6.602 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.274 -5.587 -8.048 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.895 -3.817 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.938 -1.558 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -11.706 -2.759 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.787 -2.158 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.868 -2.217 -8.039 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.795 -2.844 -9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -15.040 -3.897 -8.600 1.00 0.00 H new ATOM 946 N ASP A 64 -12.156 -5.068 -10.196 1.00 0.00 N ATOM 947 CA ASP A 64 -11.498 -4.816 -11.473 1.00 0.00 C ATOM 948 C ASP A 64 -11.106 -3.348 -11.602 1.00 0.00 C ATOM 949 O ASP A 64 -11.962 -2.463 -11.606 1.00 0.00 O ATOM 950 CB ASP A 64 -12.413 -5.217 -12.631 1.00 0.00 C ATOM 951 CG ASP A 64 -13.855 -4.811 -12.396 1.00 0.00 C ATOM 952 OD1 ASP A 64 -14.568 -5.544 -11.680 1.00 0.00 O ATOM 953 OD2 ASP A 64 -14.270 -3.760 -12.929 1.00 0.00 O ATOM 0 H ASP A 64 -12.904 -5.760 -10.237 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.591 -5.420 -11.512 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.054 -4.755 -13.551 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.361 -6.296 -12.775 1.00 0.00 H new ATOM 958 N LYS A 65 -9.806 -3.094 -11.707 1.00 0.00 N ATOM 959 CA LYS A 65 -9.299 -1.733 -11.837 1.00 0.00 C ATOM 960 C LYS A 65 -8.334 -1.622 -13.012 1.00 0.00 C ATOM 961 O LYS A 65 -8.034 -2.614 -13.677 1.00 0.00 O ATOM 962 CB LYS A 65 -8.599 -1.303 -10.546 1.00 0.00 C ATOM 963 CG LYS A 65 -7.252 -1.972 -10.332 1.00 0.00 C ATOM 964 CD LYS A 65 -7.395 -3.283 -9.576 1.00 0.00 C ATOM 965 CE LYS A 65 -6.042 -3.826 -9.141 1.00 0.00 C ATOM 966 NZ LYS A 65 -6.179 -4.928 -8.150 1.00 0.00 N ATOM 0 H LYS A 65 -9.083 -3.814 -11.705 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.146 -1.072 -12.022 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.460 -0.222 -10.561 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.246 -1.530 -9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.779 -2.157 -11.296 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.595 -1.301 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.026 -3.132 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.896 -4.016 -10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.498 -4.188 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.449 -3.020 -8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.279 -5.053 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.930 -4.692 -7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.424 -5.810 -8.643 1.00 0.00 H new ATOM 980 N ARG A 66 -7.849 -0.410 -13.262 1.00 0.00 N ATOM 981 CA ARG A 66 -6.918 -0.170 -14.357 1.00 0.00 C ATOM 982 C ARG A 66 -5.480 -0.425 -13.914 1.00 0.00 C ATOM 983 O ARG A 66 -4.775 0.494 -13.500 1.00 0.00 O ATOM 984 CB ARG A 66 -7.058 1.265 -14.869 1.00 0.00 C ATOM 985 CG ARG A 66 -7.050 2.309 -13.764 1.00 0.00 C ATOM 986 CD ARG A 66 -6.503 3.639 -14.259 1.00 0.00 C ATOM 987 NE ARG A 66 -5.043 3.678 -14.222 1.00 0.00 N ATOM 988 CZ ARG A 66 -4.322 4.674 -14.723 1.00 0.00 C ATOM 989 NH1 ARG A 66 -4.922 5.708 -15.297 1.00 0.00 N ATOM 990 NH2 ARG A 66 -2.997 4.638 -14.651 1.00 0.00 N ATOM 0 H ARG A 66 -8.086 0.421 -12.720 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.160 -0.862 -15.164 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.244 1.476 -15.562 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.987 1.352 -15.433 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.063 2.449 -13.386 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.445 1.953 -12.930 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.845 3.814 -15.279 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.903 4.446 -13.646 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.551 2.897 -13.788 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.940 5.740 -15.354 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.366 6.472 -15.681 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.532 3.844 -14.210 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.444 5.404 -15.036 1.00 0.00 H new ATOM 1004 N GLY A 67 -5.052 -1.681 -14.003 1.00 0.00 N ATOM 1005 CA GLY A 67 -3.702 -2.035 -13.607 1.00 0.00 C ATOM 1006 C GLY A 67 -2.662 -1.100 -14.193 1.00 0.00 C ATOM 1007 O GLY A 67 -2.825 -0.598 -15.306 1.00 0.00 O ATOM 0 H GLY A 67 -5.617 -2.460 -14.342 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.629 -2.018 -12.520 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.489 -3.056 -13.925 1.00 0.00 H new ATOM 1011 N LEU A 68 -1.592 -0.863 -13.442 1.00 0.00 N ATOM 1012 CA LEU A 68 -0.521 0.020 -13.893 1.00 0.00 C ATOM 1013 C LEU A 68 -0.076 -0.342 -15.306 1.00 0.00 C ATOM 1014 O LEU A 68 0.665 -1.303 -15.508 1.00 0.00 O ATOM 1015 CB LEU A 68 0.669 -0.059 -12.935 1.00 0.00 C ATOM 1016 CG LEU A 68 0.385 0.315 -11.480 1.00 0.00 C ATOM 1017 CD1 LEU A 68 -0.191 -0.873 -10.726 1.00 0.00 C ATOM 1018 CD2 LEU A 68 1.651 0.817 -10.802 1.00 0.00 C ATOM 0 H LEU A 68 -1.443 -1.270 -12.519 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.904 1.040 -13.903 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.061 -1.076 -12.958 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.456 0.595 -13.310 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.352 1.118 -11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.387 -0.588 -9.692 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.122 -1.187 -11.198 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.522 -1.697 -10.746 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.430 1.079 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.410 0.035 -10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.021 1.697 -11.328 1.00 0.00 H new ATOM 1030 N GLY A 69 -0.532 0.436 -16.283 1.00 0.00 N ATOM 1031 CA GLY A 69 -0.169 0.183 -17.665 1.00 0.00 C ATOM 1032 C GLY A 69 -1.334 -0.334 -18.486 1.00 0.00 C ATOM 1033 O GLY A 69 -1.882 -1.397 -18.198 1.00 0.00 O ATOM 0 H GLY A 69 -1.147 1.238 -16.142 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.207 1.103 -18.113 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.644 -0.542 -17.697 1.00 0.00 H new ATOM 1037 N VAL A 70 -1.715 0.422 -19.511 1.00 0.00 N ATOM 1038 CA VAL A 70 -2.823 0.036 -20.375 1.00 0.00 C ATOM 1039 C VAL A 70 -2.387 -1.014 -21.391 1.00 0.00 C ATOM 1040 O VAL A 70 -3.039 -2.047 -21.552 1.00 0.00 O ATOM 1041 CB VAL A 70 -3.400 1.251 -21.126 1.00 0.00 C ATOM 1042 CG1 VAL A 70 -4.518 0.819 -22.062 1.00 0.00 C ATOM 1043 CG2 VAL A 70 -3.893 2.300 -20.141 1.00 0.00 C ATOM 0 H VAL A 70 -1.272 1.306 -19.763 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.595 -0.384 -19.730 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.607 1.695 -21.728 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.913 1.691 -22.584 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.129 0.107 -22.789 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.315 0.350 -21.485 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.297 3.151 -20.688 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.672 1.870 -19.511 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.063 2.631 -19.516 1.00 0.00 H new ATOM 1053 N THR A 71 -1.279 -0.745 -22.074 1.00 0.00 N ATOM 1054 CA THR A 71 -0.755 -1.666 -23.075 1.00 0.00 C ATOM 1055 C THR A 71 0.769 -1.661 -23.083 1.00 0.00 C ATOM 1056 O THR A 71 1.397 -0.629 -22.846 1.00 0.00 O ATOM 1057 CB THR A 71 -1.265 -1.313 -24.485 1.00 0.00 C ATOM 1058 OG1 THR A 71 -1.020 0.070 -24.763 1.00 0.00 O ATOM 1059 CG2 THR A 71 -2.753 -1.605 -24.611 1.00 0.00 C ATOM 0 H THR A 71 -0.727 0.104 -21.952 1.00 0.00 H new ATOM 0 HA THR A 71 -1.111 -2.660 -22.806 1.00 0.00 H new ATOM 0 HB THR A 71 -0.728 -1.929 -25.206 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.346 0.286 -25.662 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.091 -1.348 -25.615 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.933 -2.664 -24.428 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.303 -1.012 -23.880 1.00 0.00 H new ATOM 1067 N ASP A 72 1.359 -2.820 -23.356 1.00 0.00 N ATOM 1068 CA ASP A 72 2.811 -2.948 -23.396 1.00 0.00 C ATOM 1069 C ASP A 72 3.323 -2.876 -24.832 1.00 0.00 C ATOM 1070 O ASP A 72 4.258 -2.133 -25.131 1.00 0.00 O ATOM 1071 CB ASP A 72 3.245 -4.266 -22.753 1.00 0.00 C ATOM 1072 CG ASP A 72 4.691 -4.608 -23.055 1.00 0.00 C ATOM 1073 OD1 ASP A 72 4.959 -5.130 -24.157 1.00 0.00 O ATOM 1074 OD2 ASP A 72 5.555 -4.355 -22.188 1.00 0.00 O ATOM 0 H ASP A 72 0.854 -3.684 -23.553 1.00 0.00 H new ATOM 0 HA ASP A 72 3.240 -2.119 -22.834 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.107 -4.203 -21.674 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.602 -5.070 -23.110 1.00 0.00 H new ATOM 1079 N HIS A 73 2.704 -3.652 -25.715 1.00 0.00 N ATOM 1080 CA HIS A 73 3.098 -3.676 -27.120 1.00 0.00 C ATOM 1081 C HIS A 73 1.897 -3.962 -28.016 1.00 0.00 C ATOM 1082 O HIS A 73 1.295 -5.032 -27.940 1.00 0.00 O ATOM 1083 CB HIS A 73 4.183 -4.729 -27.349 1.00 0.00 C ATOM 1084 CG HIS A 73 5.108 -4.400 -28.480 1.00 0.00 C ATOM 1085 ND1 HIS A 73 6.470 -4.606 -28.422 1.00 0.00 N ATOM 1086 CD2 HIS A 73 4.859 -3.878 -29.704 1.00 0.00 C ATOM 1087 CE1 HIS A 73 7.020 -4.223 -29.561 1.00 0.00 C ATOM 1088 NE2 HIS A 73 6.063 -3.778 -30.356 1.00 0.00 N ATOM 0 H HIS A 73 1.928 -4.272 -25.484 1.00 0.00 H new ATOM 0 HA HIS A 73 3.495 -2.694 -27.378 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.766 -4.843 -26.435 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.709 -5.690 -27.546 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.893 -3.593 -30.095 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.072 -4.266 -29.801 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.197 -3.418 -31.301 1.00 0.00 H new ATOM 1097 N ASN A 74 1.555 -2.998 -28.864 1.00 0.00 N ATOM 1098 CA ASN A 74 0.425 -3.146 -29.774 1.00 0.00 C ATOM 1099 C ASN A 74 0.887 -3.654 -31.137 1.00 0.00 C ATOM 1100 O ASN A 74 1.260 -2.871 -32.009 1.00 0.00 O ATOM 1101 CB ASN A 74 -0.305 -1.811 -29.936 1.00 0.00 C ATOM 1102 CG ASN A 74 0.620 -0.698 -30.387 1.00 0.00 C ATOM 1103 OD1 ASN A 74 1.543 -0.312 -29.669 1.00 0.00 O ATOM 1104 ND2 ASN A 74 0.376 -0.175 -31.583 1.00 0.00 N ATOM 0 H ASN A 74 2.044 -2.106 -28.940 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.260 -3.878 -29.346 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.111 -1.926 -30.661 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.766 -1.535 -28.988 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.965 0.578 -31.940 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.400 -0.526 -32.144 1.00 0.00 H new ATOM 1111 N GLY A 75 0.858 -4.972 -31.312 1.00 0.00 N ATOM 1112 CA GLY A 75 1.275 -5.562 -32.570 1.00 0.00 C ATOM 1113 C GLY A 75 1.416 -7.069 -32.485 1.00 0.00 C ATOM 1114 O GLY A 75 2.502 -7.610 -32.693 1.00 0.00 O ATOM 0 H GLY A 75 0.553 -5.641 -30.605 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.549 -5.311 -33.344 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.228 -5.128 -32.873 1.00 0.00 H new ATOM 1118 N MET A 76 0.316 -7.748 -32.177 1.00 0.00 N ATOM 1119 CA MET A 76 0.322 -9.202 -32.065 1.00 0.00 C ATOM 1120 C MET A 76 -0.632 -9.830 -33.076 1.00 0.00 C ATOM 1121 O MET A 76 -1.839 -9.898 -32.844 1.00 0.00 O ATOM 1122 CB MET A 76 -0.066 -9.627 -30.647 1.00 0.00 C ATOM 1123 CG MET A 76 -0.138 -11.134 -30.463 1.00 0.00 C ATOM 1124 SD MET A 76 1.426 -11.954 -30.825 1.00 0.00 S ATOM 1125 CE MET A 76 0.852 -13.581 -31.307 1.00 0.00 C ATOM 0 H MET A 76 -0.591 -7.315 -32.001 1.00 0.00 H new ATOM 0 HA MET A 76 1.331 -9.554 -32.279 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.658 -9.217 -29.943 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.034 -9.192 -30.398 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.432 -11.357 -29.437 1.00 0.00 H new ATOM 0 HG3 MET A 76 -0.915 -11.539 -31.112 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.707 -14.208 -31.562 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.304 -14.033 -30.480 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.195 -13.494 -32.173 1.00 0.00 H new ATOM 1135 N ALA A 77 -0.083 -10.288 -34.196 1.00 0.00 N ATOM 1136 CA ALA A 77 -0.886 -10.911 -35.241 1.00 0.00 C ATOM 1137 C ALA A 77 -0.001 -11.512 -36.328 1.00 0.00 C ATOM 1138 O ALA A 77 0.953 -10.883 -36.783 1.00 0.00 O ATOM 1139 CB ALA A 77 -1.849 -9.898 -35.842 1.00 0.00 C ATOM 0 H ALA A 77 0.915 -10.239 -34.403 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.462 -11.719 -34.789 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.442 -10.377 -36.621 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.511 -9.519 -35.063 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.285 -9.071 -36.273 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.325 -12.734 -36.739 1.00 0.00 N ATOM 1146 CA ALA A 78 0.440 -13.419 -37.773 1.00 0.00 C ATOM 1147 C ALA A 78 -0.477 -13.972 -38.859 1.00 0.00 C ATOM 1148 O ALA A 78 -1.654 -14.241 -38.615 1.00 0.00 O ATOM 1149 CB ALA A 78 1.271 -14.538 -37.162 1.00 0.00 C ATOM 0 H ALA A 78 -1.112 -13.269 -36.372 1.00 0.00 H new ATOM 0 HA ALA A 78 1.110 -12.694 -38.234 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.837 -15.041 -37.946 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.960 -14.120 -36.428 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.612 -15.256 -36.673 1.00 0.00 H new ATOM 1155 N LYS A 79 0.068 -14.138 -40.059 1.00 0.00 N ATOM 1156 CA LYS A 79 -0.701 -14.659 -41.184 1.00 0.00 C ATOM 1157 C LYS A 79 0.192 -15.453 -42.131 1.00 0.00 C ATOM 1158 O LYS A 79 1.404 -15.242 -42.181 1.00 0.00 O ATOM 1159 CB LYS A 79 -1.375 -13.513 -41.941 1.00 0.00 C ATOM 1160 CG LYS A 79 -2.463 -13.973 -42.897 1.00 0.00 C ATOM 1161 CD LYS A 79 -3.739 -14.336 -42.156 1.00 0.00 C ATOM 1162 CE LYS A 79 -4.962 -14.187 -43.047 1.00 0.00 C ATOM 1163 NZ LYS A 79 -6.058 -15.111 -42.644 1.00 0.00 N ATOM 0 H LYS A 79 1.040 -13.919 -40.278 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.468 -15.327 -40.791 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.806 -12.817 -41.221 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.618 -12.964 -42.502 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.672 -13.183 -43.619 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.111 -14.836 -43.462 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.673 -15.363 -41.796 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.846 -13.697 -41.279 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.320 -13.158 -43.003 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.683 -14.384 -44.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.874 -14.979 -43.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.725 -16.094 -42.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.342 -14.907 -41.665 1.00 0.00 H new ATOM 1177 N SER A 80 -0.414 -16.366 -42.883 1.00 0.00 N ATOM 1178 CA SER A 80 0.326 -17.194 -43.828 1.00 0.00 C ATOM 1179 C SER A 80 -0.619 -17.868 -44.818 1.00 0.00 C ATOM 1180 O SER A 80 -1.473 -18.666 -44.433 1.00 0.00 O ATOM 1181 CB SER A 80 1.141 -18.252 -43.082 1.00 0.00 C ATOM 1182 OG SER A 80 2.281 -17.678 -42.466 1.00 0.00 O ATOM 0 H SER A 80 -1.417 -16.551 -42.856 1.00 0.00 H new ATOM 0 HA SER A 80 1.005 -16.548 -44.384 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.517 -18.730 -42.326 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.453 -19.032 -43.777 1.00 0.00 H new ATOM 0 HG SER A 80 2.271 -16.707 -42.600 1.00 0.00 H new ATOM 1188 N GLY A 81 -0.460 -17.540 -46.096 1.00 0.00 N ATOM 1189 CA GLY A 81 -1.305 -18.121 -47.122 1.00 0.00 C ATOM 1190 C GLY A 81 -0.903 -17.690 -48.519 1.00 0.00 C ATOM 1191 O GLY A 81 -0.444 -16.568 -48.737 1.00 0.00 O ATOM 0 H GLY A 81 0.239 -16.882 -46.439 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.259 -19.208 -47.053 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.341 -17.834 -46.941 1.00 0.00 H new ATOM 1195 N PRO A 82 -1.074 -18.594 -49.494 1.00 0.00 N ATOM 1196 CA PRO A 82 -0.730 -18.324 -50.893 1.00 0.00 C ATOM 1197 C PRO A 82 -1.670 -17.309 -51.535 1.00 0.00 C ATOM 1198 O PRO A 82 -2.645 -16.876 -50.921 1.00 0.00 O ATOM 1199 CB PRO A 82 -0.879 -19.691 -51.565 1.00 0.00 C ATOM 1200 CG PRO A 82 -1.852 -20.429 -50.712 1.00 0.00 C ATOM 1201 CD PRO A 82 -1.616 -19.950 -49.306 1.00 0.00 C ATOM 0 HA PRO A 82 0.266 -17.892 -50.992 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.244 -19.592 -52.587 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.077 -20.213 -51.617 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.876 -20.229 -51.026 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.700 -21.506 -50.788 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.539 -19.937 -48.726 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.914 -20.593 -48.775 1.00 0.00 H new ATOM 1209 N SER A 83 -1.372 -16.935 -52.775 1.00 0.00 N ATOM 1210 CA SER A 83 -2.189 -15.968 -53.500 1.00 0.00 C ATOM 1211 C SER A 83 -3.268 -16.673 -54.315 1.00 0.00 C ATOM 1212 O SER A 83 -3.259 -17.896 -54.453 1.00 0.00 O ATOM 1213 CB SER A 83 -1.313 -15.116 -54.420 1.00 0.00 C ATOM 1214 OG SER A 83 -0.560 -14.173 -53.678 1.00 0.00 O ATOM 0 H SER A 83 -0.571 -17.287 -53.299 1.00 0.00 H new ATOM 0 HA SER A 83 -2.674 -15.319 -52.771 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.639 -15.760 -54.985 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.939 -14.596 -55.145 1.00 0.00 H new ATOM 0 HG SER A 83 -0.007 -13.642 -54.289 1.00 0.00 H new ATOM 1220 N SER A 84 -4.199 -15.891 -54.854 1.00 0.00 N ATOM 1221 CA SER A 84 -5.288 -16.439 -55.653 1.00 0.00 C ATOM 1222 C SER A 84 -5.414 -15.698 -56.981 1.00 0.00 C ATOM 1223 O SER A 84 -4.780 -14.665 -57.191 1.00 0.00 O ATOM 1224 CB SER A 84 -6.607 -16.354 -54.882 1.00 0.00 C ATOM 1225 OG SER A 84 -6.499 -16.983 -53.617 1.00 0.00 O ATOM 0 H SER A 84 -4.220 -14.876 -54.751 1.00 0.00 H new ATOM 0 HA SER A 84 -5.063 -17.485 -55.860 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.888 -15.309 -54.749 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.401 -16.827 -55.460 1.00 0.00 H new ATOM 0 HG SER A 84 -7.354 -16.914 -53.143 1.00 0.00 H new ATOM 1231 N GLY A 85 -6.238 -16.235 -57.876 1.00 0.00 N ATOM 1232 CA GLY A 85 -6.433 -15.613 -59.172 1.00 0.00 C ATOM 1233 C GLY A 85 -7.342 -16.425 -60.074 1.00 0.00 C ATOM 1234 O GLY A 85 -8.436 -15.982 -60.424 1.00 0.00 O ATOM 0 H GLY A 85 -6.774 -17.090 -57.726 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.857 -14.618 -59.034 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.466 -15.483 -59.658 1.00 0.00 H new TER 1238 GLY A 85